[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate

C17H24N2O6S — CID 55421866

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O6S/c1-11(20)13-6-8-14(9-7-13)26(23,24)18-10-15(21)25-12(2)16(22)19-17(3,4)5/h6-9,12,18H,10H2,1-5H3,(H,19,22)
InChIKeyURUAIDZXMXXHRU-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.01
Rot. Bonds7

About [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate

[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55421866) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55421866
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H24N2O6S/c1-11(20)13-6-8-14(9-7-13)26(23,24)18-10-15(21)25-12(2)16(22)19-17(3,4)5/h6-9,12,18H,10H2,1-5H3,(H,19,22)
InChIKeyURUAIDZXMXXHRU-UHFFFAOYSA-N
XLogP1.01
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8576950
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55421868
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596265
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311623
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55356523
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617225
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 42970883
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617584

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55421866) is [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate is CC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is URUAIDZXMXXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-11(20)13-6-8-14(9-7-13)26(23,24)18-10-15(21)25-12(2)16(22)19-17(3,4)5/h6-9,12,18H,10H2,1-5H3,(H,19,22).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 384.45 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55421866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).